2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine

C12H21N3O — CID 114716077

IUPAC2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
SMILESCC(C)C(C)n1cncc1C1CNCCO1
InChIInChI=1S/C12H21N3O/c1-9(2)10(3)15-8-14-6-11(15)12-7-13-4-5-16-12/h6,8-10,12-13H,4-5,7H2,1-3H3
InChIKeyUMHYUOVMCODUDK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.76
Rot. Bonds3

About 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine

2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine (PubChem CID 114716077) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
PubChem CID114716077
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
SMILESCC(C)C(C)n1cncc1C1CNCCO1
InChIInChI=1S/C12H21N3O/c1-9(2)10(3)15-8-14-6-11(15)12-7-13-4-5-16-12/h6,8-10,12-13H,4-5,7H2,1-3H3
InChIKeyUMHYUOVMCODUDK-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268
2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
CID 114719268
2-(3-heptan-2-ylimidazol-4-yl)morpholine
CID 114719560
2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine
CID 114718480
2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine
CID 114717855
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
2-[3-(3-methylpentan-3-yl)imidazol-4-yl]morpholine
CID 106329949
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
CID 103466943
2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine
CID 114722523

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine (CID 114716077) is 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine is CC(C)C(C)n1cncc1C1CNCCO1.
What is the InChIKey of 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine?
The InChIKey is UMHYUOVMCODUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)10(3)15-8-14-6-11(15)12-7-13-4-5-16-12/h6,8-10,12-13H,4-5,7H2,1-3H3.
What are the key properties of 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine?
2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114716077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).